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Ruthenium in PDB 3npl: Structure of Ru(Bpy)2(A-Phen)(K97C) P450 BM3 Heme Domain, A Ruthenium Modified P450 BM3 Mutant

Enzymatic activity of Structure of Ru(Bpy)2(A-Phen)(K97C) P450 BM3 Heme Domain, A Ruthenium Modified P450 BM3 Mutant

All present enzymatic activity of Structure of Ru(Bpy)2(A-Phen)(K97C) P450 BM3 Heme Domain, A Ruthenium Modified P450 BM3 Mutant:
1.14.14.1;

Protein crystallography data

The structure of Structure of Ru(Bpy)2(A-Phen)(K97C) P450 BM3 Heme Domain, A Ruthenium Modified P450 BM3 Mutant, PDB code: 3npl was solved by M.Ener, Y.-T.Lee, D.B.Goodin, J.R.Winkler, H.B.Gray, L.Cheruzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 2.40
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 117.078, 117.078, 273.850, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 23.8

Other elements in 3npl:

The structure of Structure of Ru(Bpy)2(A-Phen)(K97C) P450 BM3 Heme Domain, A Ruthenium Modified P450 BM3 Mutant also contains other interesting chemical elements:

Iron (Fe) 2 atoms

Ruthenium Binding Sites:

The binding sites of Ruthenium atom in the Structure of Ru(Bpy)2(A-Phen)(K97C) P450 BM3 Heme Domain, A Ruthenium Modified P450 BM3 Mutant (pdb code 3npl). This binding sites where shown within 5.0 Angstroms radius around Ruthenium atom.
In total only one binding site of Ruthenium was determined in the Structure of Ru(Bpy)2(A-Phen)(K97C) P450 BM3 Heme Domain, A Ruthenium Modified P450 BM3 Mutant, PDB code: 3npl:

Ruthenium binding site 1 out of 1 in 3npl

Go back to Ruthenium Binding Sites List in 3npl
Ruthenium binding site 1 out of 1 in the Structure of Ru(Bpy)2(A-Phen)(K97C) P450 BM3 Heme Domain, A Ruthenium Modified P450 BM3 Mutant


Mono view


Stereo pair view

A full contact list of Ruthenium with other atoms in the Ru binding site number 1 of Structure of Ru(Bpy)2(A-Phen)(K97C) P450 BM3 Heme Domain, A Ruthenium Modified P450 BM3 Mutant within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ru501

b:43.2
occ:1.00
 RU1 B:RU8501 0.0 43.2 1.0
N33 B:RU8501 2.1 42.2 1.0
N22 B:RU8501 2.1 44.6 1.0
N34 B:RU8501 2.1 45.2 1.0
N41 B:RU8501 2.1 45.0 1.0
N10 B:RU8501 2.1 45.2 1.0
N13 B:RU8501 2.1 46.6 1.0
C28 B:RU8501 2.8 42.3 1.0
C27 B:RU8501 2.8 42.7 1.0
C39 B:RU8501 2.8 43.6 1.0
C40 B:RU8501 2.8 44.1 1.0
C11 B:RU8501 2.8 45.8 1.0
C14 B:RU8501 2.8 46.0 1.0
C32 B:RU8501 3.0 40.6 1.0
C23 B:RU8501 3.0 44.1 1.0
C35 B:RU8501 3.0 42.0 1.0
C45 B:RU8501 3.0 45.5 1.0
C08 B:RU8501 3.1 44.7 1.0
C15 B:RU8501 3.1 45.6 1.0
C29 B:RU8501 4.1 40.4 1.0
C26 B:RU8501 4.1 42.2 1.0
C38 B:RU8501 4.1 42.3 1.0
C42 B:RU8501 4.2 45.3 1.0
C02 B:RU8501 4.2 46.6 1.0
C21 B:RU8501 4.2 47.0 1.0
C31 B:RU8501 4.3 40.7 1.0
C17 B:RU8501 4.3 46.1 1.0
C36 B:RU8501 4.3 41.1 1.0
C24 B:RU8501 4.3 43.3 1.0
C44 B:RU8501 4.3 45.1 1.0
C06 B:RU8501 4.4 44.9 1.0
C30 B:RU8501 4.7 40.4 1.0
C37 B:RU8501 4.7 41.4 1.0
C25 B:RU8501 4.8 42.3 1.0
C19 B:RU8501 4.8 46.4 1.0
C43 B:RU8501 4.8 45.6 1.0
C01 B:RU8501 4.8 45.7 1.0

Reference:

M.Ener, Y.-T.Lee, D.B.Goodin, J.R.Winkler, H.B.Gray, L.Cheruzel. Structure of Ru(Bpy)2(A-Phen)(K97C) P450 BM3 Heme Domain, A Ruthenium Modified P450 BM3 Mutant To Be Published.
Page generated: Tue Aug 19 00:51:13 2025

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